6JZ2
b-glucuronidase from Ruminococcus gnavus in complex with uronic isofagomine at 1.3 Angstroms resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2018-10-16 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 163.236, 102.734, 112.714 |
Unit cell angles | 90.00, 130.94, 90.00 |
Refinement procedure
Resolution | 27.094 - 1.290 |
R-factor | 0.1561 |
Rwork | 0.156 |
R-free | 0.16980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5z18 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.150 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.340 |
High resolution limit [Å] | 1.286 | 2.780 | 1.290 |
Rmerge | 0.045 | 0.024 | 0.621 |
Rmeas | 0.050 | 0.027 | 0.696 |
Rpim | 0.022 | 0.012 | 0.309 |
Number of reflections | 66391 | 35216 | 32163 |
<I/σ(I)> | 13 | ||
Completeness [%] | 95.6 | 98.4 | 91.1 |
Redundancy | 5.1 | 5.2 | 4.9 |
CC(1/2) | 0.999 | 0.789 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 70% MPD, 0.1 M HEPES pH 7.5, 0.2 M CaCl2 |